P184-1053 Screening compound: 3-(4-methylbenzenesulfonyl)-N-{[1-(propan-2-yl)-1H-indazol-3-yl]methyl}propanamide

P184-1053 Screening compound: 3-(4-methylbenzenesulfonyl)-N-{[1-(propan-2-yl)-1H-indazol-3-yl]methyl}propanamide
P184-1053 Screening compound: 3-(4-methylbenzenesulfonyl)-N-{[1-(propan-2-yl)-1H-indazol-3-yl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P184-1053
3-(4-methylbenzenesulfonyl)-N-{[1-(propan-2-yl)-1H-indazol-3-yl]methyl}propanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

P184-1053

Molecular Formula

C21H25N3O3S (C21 H25 N3 O3 S)

Compound Name

3-(4-methylbenzenesulfonyl)-N-{[1-(propan-2-yl)-1H-indazol-3-yl]methyl}propanamide

IUPAC name

3-(4-methylbenzenesulfonyl)-N-{[1-(propan-2-yl)-1H-indazol-3-yl]methyl}propanamide

SMILES

CC(C)n1nc(CNC(CCS(c2ccc(C)cc2)(=O)=O)=O)c2c1cccc2

InChI

InChI=1S/C21H25N3O3S/c1-15(2)24-20-7-5-4-6-18(20)19(23-24)14-22-21(25)12-13-28(26,27)17-10-8-16(3)9-11-17/h4-11,15H,12-14H2,1-3H3,(H,22,25)

InChI Key

KHYZWDZQENDTFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.033

Distribution Coefficient, logD

3.033

Water Solubility, LogSw

-3.37

Polar Surface Area

68.688

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P184-1053 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with P184-1053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P184-1053?
Check Price and Availability of P184-1053, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P184-1053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P184-1053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P184-1053
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of P184-1053 available by request